3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one

C13H23N3O2 — CID 55156032

IUPAC3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)CC(CO)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)7-11(8-17)15-12-13(18)16(10(3)4)6-5-14-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,14,15)
InChIKeyVEUKAPCFGAQGQO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.64
Rot. Bonds6

About 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one

3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55156032) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID55156032
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)CC(CO)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)7-11(8-17)15-12-13(18)16(10(3)4)6-5-14-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,14,15)
InChIKeyVEUKAPCFGAQGQO-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one (CID 55156032) is 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one is CC(C)CC(CO)Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is VEUKAPCFGAQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)7-11(8-17)15-12-13(18)16(10(3)4)6-5-14-12/h5-6,9-11,17H,7-8H2,1-4H3,(H,14,15).
What are the key properties of 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one?
3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55156032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).